ethyl N-[4-(azepan-1-yl)-2-methyl-5-thiophen-2-yl-1,2,4-oxadiazolidin-3-yl]-N-phenyl-carbamate

Systemtic Name: ethyl N-[4-(azepan-1-yl)-2-methyl-5-thiophen-2-yl-1,2,4-oxadiazolidin-3-yl]-N-phenyl-carbamate Openeye Name: ethyl N-[4-(azepan-1-yl)-2-methyl-5-(2-thienyl)-1,2,4-oxadiazolidin-3-yl]-N-phenyl-carbamate CAS Name: N-[4-(1-azepanyl)-2-methyl-5-thiophen-2-yl-1,2,4-oxadiazolidin-3-yl]-N-phenylcarbamic acid ethyl ester IUPAC Name: ethyl N-[4-(azepan-1-yl)-2-methyl-5-thiophen-2-yl-1,2,4-oxadiazolidin-3-yl]-N-phenylcarbamate Traditional Name: N-[4-(azepan-1-yl)-2-methyl-5-(2-thienyl)-1,2,4-oxadiazolidin-3-yl]-N-phenyl-carbamic acid ethyl ester Formula: C22H30N4O3S MolecularWeight: 430.5636

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N(C1N(OC(N1N2CCCCCC2)C3=CC=CS3)C)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)N(C1N(OC(N1N2CCCCCC2)C3=CC=CS3)C)C4=CC=CC=C4

InChI

InChI=1S/C22H30N4O3S/c1-3-28-22(27)25(18-12-7-6-8-13-18)21-23(2)29-20(19-14-11-17-30-19)26(21)24-15-9-4-5-10-16-24/h6-8,11-14,17,20-21H,3-5,9-10,15-16H2,1-2H3